2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole

C15H14ClFN2S — CID 62377554

IUPAC2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
SMILESCC(Cc1ccsc1)n1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C15H14ClFN2S/c1-10(6-11-4-5-20-9-11)19-14-7-12(17)2-3-13(14)18-15(19)8-16/h2-5,7,9-10H,6,8H2,1H3
InChIKeyIHNNUECEEJMNMR-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.78
Rot. Bonds4

About 2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole

2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole (PubChem CID 62377554) has the molecular formula C15H14ClFN2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
PubChem CID62377554
Molecular FormulaC15H14ClFN2S
Molecular Weight308.81 g/mol
Exact Mass308.06
IUPAC Name2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
SMILESCC(Cc1ccsc1)n1c(CCl)nc2ccc(F)cc21
InChIInChI=1S/C15H14ClFN2S/c1-10(6-11-4-5-20-9-11)19-14-7-12(17)2-3-13(14)18-15(19)8-16/h2-5,7,9-10H,6,8H2,1H3
InChIKeyIHNNUECEEJMNMR-UHFFFAOYSA-N
XLogP4.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-5-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
CID 61477574
2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carbonitrile
CID 104715554
2-(chloromethyl)-4-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
CID 61477649
2-(chloromethyl)-3-(1-thiophen-3-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 79294519
2-(2-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
CID 63292395
2-(chloromethyl)-6-fluoro-1-(1-thiophen-2-ylbutyl)benzimidazole
CID 62378429
1-[1-(4-bromophenyl)ethyl]-2-(chloromethyl)-6-fluorobenzimidazole
CID 63546319
2-(chloromethyl)-1-[1-(2-chlorophenyl)ethyl]-6-fluorobenzimidazole
CID 62377043
2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-methylpropanamide
CID 62376352
2-(chloromethyl)-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluorobenzimidazole
CID 62376873
2-(chloromethyl)-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazole
CID 62378078
2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82950751

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole (CID 62377554) is 2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole is CC(Cc1ccsc1)n1c(CCl)nc2ccc(F)cc21.
What is the InChIKey of 2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole?
The InChIKey is IHNNUECEEJMNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2S/c1-10(6-11-4-5-20-9-11)19-14-7-12(17)2-3-13(14)18-15(19)8-16/h2-5,7,9-10H,6,8H2,1H3.
What are the key properties of 2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole?
2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole has a molecular weight of 308.81 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole is sourced from PubChem (CID 62377554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).